data_C6Q # _chem_comp.id C6Q _chem_comp.name "N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-6-phenylhexanamide" _chem_comp.type NON-POLYMER _chem_comp.pdbx_type HETAIN _chem_comp.formula "C36 H63 N O9" _chem_comp.mon_nstd_parent_comp_id ? _chem_comp.pdbx_synonyms "(2S,3S,4R)-N-PHENYLHEXANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL" _chem_comp.pdbx_formal_charge 0 _chem_comp.pdbx_initial_date 2009-04-06 _chem_comp.pdbx_modified_date 2020-06-17 _chem_comp.pdbx_ambiguous_flag N _chem_comp.pdbx_release_status REL _chem_comp.pdbx_replaced_by ? _chem_comp.pdbx_replaces ? _chem_comp.formula_weight 653.887 _chem_comp.one_letter_code ? _chem_comp.three_letter_code C6Q _chem_comp.pdbx_model_coordinates_details ? _chem_comp.pdbx_model_coordinates_missing_flag N _chem_comp.pdbx_ideal_coordinates_details Corina _chem_comp.pdbx_ideal_coordinates_missing_flag N _chem_comp.pdbx_model_coordinates_db_code 3GML _chem_comp.pdbx_subcomponent_list ? _chem_comp.pdbx_processing_site RCSB # # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.alt_atom_id _chem_comp_atom.type_symbol _chem_comp_atom.charge _chem_comp_atom.pdbx_align _chem_comp_atom.pdbx_aromatic_flag _chem_comp_atom.pdbx_leaving_atom_flag _chem_comp_atom.pdbx_stereo_config _chem_comp_atom.model_Cartn_x _chem_comp_atom.model_Cartn_y _chem_comp_atom.model_Cartn_z _chem_comp_atom.pdbx_model_Cartn_x_ideal _chem_comp_atom.pdbx_model_Cartn_y_ideal _chem_comp_atom.pdbx_model_Cartn_z_ideal _chem_comp_atom.pdbx_component_atom_id _chem_comp_atom.pdbx_component_comp_id _chem_comp_atom.pdbx_ordinal C6Q N N N 0 1 N N N 3.355 -7.058 18.265 -2.121 0.619 -0.551 N C6Q 1 C6Q C5 C5 C 0 1 N N N 7.659 -8.689 6.507 12.845 -1.793 0.264 C5 C6Q 2 C6Q C6 C6 C 0 1 N N N 8.006 -9.503 7.722 11.797 -0.681 0.341 C6 C6Q 3 C6Q C2 C2 C 0 1 N N N 8.944 -6.663 4.677 16.637 -1.773 0.928 C2 C6Q 4 C6Q C3 C3 C 0 1 N N N 8.393 -7.995 4.228 15.265 -2.339 0.558 C3 C6Q 5 C6Q C4 C4 C 0 1 N N N 8.575 -9.041 5.332 14.217 -1.227 0.635 C4 C6Q 6 C6Q O25 O25 O 0 1 N N N 1.194 -7.034 17.722 -3.414 -0.507 -1.959 O25 C6Q 7 C6Q C25 C25 C 0 1 N N N 2.169 -7.656 18.196 -3.005 -0.361 -0.826 C25 C6Q 8 C6Q C26 C26 C 0 1 N N N 2.130 -9.049 18.768 -3.485 -1.273 0.272 C26 C6Q 9 C6Q C27 C27 C 0 1 N N N 1.207 -10.060 18.074 -4.474 -2.288 -0.304 C27 C6Q 10 C6Q C28 C28 C 0 1 N N N 1.675 -10.286 16.640 -4.962 -3.215 0.812 C28 C6Q 11 C6Q C29 C29 C 0 1 N N N 0.755 -11.292 15.901 -5.951 -4.230 0.236 C29 C6Q 12 C6Q C30 C30 C 0 1 N N N 1.296 -11.798 14.528 -6.439 -5.157 1.352 C30 C6Q 13 C6Q CI CI C 0 1 Y N N 0.198 -12.647 13.937 -7.414 -6.156 0.784 CI C6Q 14 C6Q CJ2 CJ2 C 0 1 Y N N 0.015 -13.924 14.401 -6.957 -7.366 0.295 CJ2 C6Q 15 C6Q CK2 CK2 C 0 1 Y N N -0.992 -14.731 13.861 -7.852 -8.282 -0.226 CK2 C6Q 16 C6Q CL CL C 0 1 Y N N -1.821 -14.244 12.848 -9.202 -7.990 -0.256 CL C6Q 17 C6Q CK1 CK1 C 0 1 Y N N -1.669 -12.926 12.374 -9.659 -6.781 0.234 CK1 C6Q 18 C6Q CJ1 CJ1 C 0 1 Y N N -0.618 -12.160 12.902 -8.765 -5.866 0.759 CJ1 C6Q 19 C6Q C17 C17 C 0 1 N N S 3.511 -5.673 17.800 -1.654 1.506 -1.619 C17 C6Q 20 C6Q C18 C18 C 0 1 N N N 3.393 -4.755 19.050 -2.648 2.655 -1.798 C18 C6Q 21 C6Q O18 O18 O 0 1 N N N 4.361 -5.138 20.053 -2.673 3.453 -0.613 O18 C6Q 22 C6Q C19 C19 C 0 1 N N S 4.398 -4.513 21.371 -3.575 4.560 -0.676 C19 C6Q 23 C6Q C20 C20 C 0 1 N N R 5.604 -4.995 22.162 -3.341 5.477 0.527 C20 C6Q 24 C6Q O20 O20 O 0 1 N N N 6.802 -4.700 21.457 -1.980 5.913 0.539 O20 C6Q 25 C6Q C21 C21 C 0 1 N N S 5.607 -6.502 22.403 -3.643 4.705 1.815 C21 C6Q 26 C6Q O21 O21 O 0 1 N N N 6.726 -6.896 23.189 -3.498 5.575 2.940 O21 C6Q 27 C6Q C22 C22 C 0 1 N N R 4.381 -6.941 23.164 -5.080 4.177 1.757 C22 C6Q 28 C6Q O22 O22 O 0 1 N N N 4.441 -6.381 24.491 -5.990 5.277 1.699 O22 C6Q 29 C6Q C23 C23 C 0 1 N N R 3.180 -6.374 22.443 -5.246 3.309 0.506 C23 C6Q 30 C6Q C24 C24 C 0 1 N N N 1.988 -6.492 23.391 -6.695 2.828 0.409 C24 C6Q 31 C6Q O24 O24 O 0 1 N N N 0.844 -6.551 22.531 -6.823 1.925 -0.692 O24 C6Q 32 C6Q O19 O19 O 0 1 N N N 3.299 -4.982 22.144 -4.920 4.080 -0.653 O19 C6Q 33 C6Q C16 C16 C 0 1 N N S 4.880 -5.509 17.209 -0.282 2.072 -1.249 C16 C6Q 34 C6Q O16 O16 O 0 1 N N N 4.912 -4.137 16.902 0.116 3.035 -2.227 O16 C6Q 35 C6Q C15 C15 C 0 1 N N R 5.153 -6.315 15.928 0.743 0.937 -1.204 C15 C6Q 36 C6Q O15 O15 O 0 1 N N N 6.425 -5.956 15.358 0.345 -0.026 -0.226 O15 C6Q 37 C6Q C14 C14 C 0 1 N N N 4.109 -6.151 14.797 2.115 1.503 -0.834 C14 C6Q 38 C6Q C13 C13 C 0 1 N N N 4.545 -6.940 13.545 3.163 0.391 -0.910 C13 C6Q 39 C6Q C12 C12 C 0 1 N N N 4.559 -8.445 13.734 4.536 0.957 -0.540 C12 C6Q 40 C6Q C11 C11 C 0 1 N N N 4.619 -9.316 12.444 5.584 -0.155 -0.617 C11 C6Q 41 C6Q C10 C10 C 0 1 N N N 5.814 -9.177 11.501 6.956 0.411 -0.246 C10 C6Q 42 C6Q C9 C9 C 0 1 N N N 5.704 -10.367 10.544 8.004 -0.701 -0.323 C9 C6Q 43 C6Q C8 C8 C 0 1 N N N 6.887 -10.516 9.597 9.376 -0.135 0.047 C8 C6Q 44 C6Q C7 C7 C 0 1 N N N 6.953 -9.261 8.778 10.424 -1.247 -0.029 C7 C6Q 45 C6Q C1 C1 C 0 1 N N N 8.907 -5.660 3.539 17.685 -2.885 0.852 C1 C6Q 46 C6Q HN HN H 0 1 N N N 4.142 -7.552 18.634 -1.796 0.738 0.355 HN C6Q 47 C6Q H5 H5 H 0 1 N N N 6.617 -8.897 6.223 12.581 -2.590 0.960 H5 C6Q 48 C6Q H5A H5A H 0 1 N N N 7.790 -7.624 6.748 12.878 -2.192 -0.749 H5A C6Q 49 C6Q H6 H6 H 0 1 N N N 8.032 -10.571 7.460 11.764 -0.282 1.355 H6 C6Q 50 C6Q H6A H6A H 0 1 N N N 8.995 -9.208 8.102 12.061 0.116 -0.354 H6A C6Q 51 C6Q H2 H2 H 0 1 N N N 8.335 -6.284 5.511 16.902 -0.976 0.233 H2 C6Q 52 C6Q H2A H2A H 0 1 N N N 9.988 -6.799 4.997 16.604 -1.374 1.942 H2A C6Q 53 C6Q H3 H3 H 0 1 N N N 7.321 -7.887 4.004 15.298 -2.738 -0.456 H3 C6Q 54 C6Q H3A H3A H 0 1 N N N 8.934 -8.323 3.329 15.001 -3.136 1.253 H3A C6Q 55 C6Q H4 H4 H 0 1 N N N 9.622 -9.045 5.668 14.481 -0.430 -0.061 H4 C6Q 56 C6Q H4A H4A H 0 1 N N N 8.317 -10.038 4.945 14.184 -0.828 1.649 H4A C6Q 57 C6Q H26 H26 H 0 1 N N N 3.152 -9.451 18.708 -2.634 -1.801 0.704 H26 C6Q 58 C6Q H26A H26A H 0 0 N N N 1.725 -8.935 19.784 -3.977 -0.684 1.045 H26A C6Q 59 C6Q H27 H27 H 0 1 N N N 1.234 -11.014 18.621 -5.325 -1.761 -0.736 H27 C6Q 60 C6Q H27A H27A H 0 0 N N N 0.180 -9.667 18.064 -3.982 -2.878 -1.077 H27A C6Q 61 C6Q H28 H28 H 0 1 N N N 1.656 -9.326 16.104 -4.111 -3.742 1.244 H28 C6Q 62 C6Q H28A H28A H 0 0 N N N 2.694 -10.700 16.667 -5.454 -2.625 1.585 H28A C6Q 63 C6Q H29 H29 H 0 1 N N N 0.628 -12.169 16.553 -6.802 -3.703 -0.196 H29 C6Q 64 C6Q H29A H29A H 0 0 N N N -0.181 -10.756 15.686 -5.459 -4.819 -0.537 H29A C6Q 65 C6Q H30 H30 H 0 1 N N N 1.530 -10.951 13.867 -5.588 -5.684 1.783 H30 C6Q 66 C6Q H30A H30A H 0 0 N N N 2.226 -12.372 14.650 -6.931 -4.567 2.125 H30A C6Q 67 C6Q HJ2 HJ2 H 0 1 N N N 0.650 -14.308 15.186 -5.902 -7.594 0.318 HJ2 C6Q 68 C6Q HK2 HK2 H 0 1 N N N -1.129 -15.737 14.230 -7.495 -9.227 -0.609 HK2 C6Q 69 C6Q HL HL H 0 1 N N N -2.583 -14.882 12.425 -9.901 -8.706 -0.663 HL C6Q 70 C6Q HK1 HK1 H 0 1 N N N -2.338 -12.519 11.630 -10.714 -6.552 0.210 HK1 C6Q 71 C6Q HJ1 HJ1 H 0 1 N N N -0.432 -11.174 12.504 -9.122 -4.923 1.145 HJ1 C6Q 72 C6Q H17 H17 H 0 1 N N N 2.752 -5.420 17.045 -1.576 0.945 -2.550 H17 C6Q 73 C6Q H18 H18 H 0 1 N N N 3.578 -3.713 18.750 -2.343 3.271 -2.644 H18 C6Q 74 C6Q H18A H18A H 0 0 N N N 2.383 -4.857 19.473 -3.643 2.250 -1.984 H18A C6Q 75 C6Q H19 H19 H 0 1 N N N 4.403 -3.425 21.209 -3.403 5.117 -1.597 H19 C6Q 76 C6Q H20 H20 H 0 1 N N N 5.545 -4.474 23.129 -4.000 6.343 0.458 H20 C6Q 77 C6Q HO20 HO20 H 0 0 N N N 6.615 -4.634 20.528 -1.718 6.406 -0.250 HO20 C6Q 78 C6Q H21 H21 H 0 1 N N N 5.639 -6.967 21.407 -2.949 3.869 1.910 H21 C6Q 79 C6Q HO21 HO21 H 0 0 N N N 7.490 -6.984 22.631 -2.613 5.951 3.034 HO21 C6Q 80 C6Q H22 H22 H 0 1 N N N 4.319 -8.037 23.228 -5.285 3.580 2.645 H22 C6Q 81 C6Q HO22 HO22 H 0 0 N N N 4.454 -7.083 25.131 -5.936 5.872 2.460 HO22 C6Q 82 C6Q H23 H23 H 0 1 N N N 3.076 -6.929 21.499 -4.580 2.449 0.570 H23 C6Q 83 C6Q H24 H24 H 0 1 N N N 2.064 -7.397 24.012 -6.971 2.317 1.331 H24 C6Q 84 C6Q H24A H24A H 0 0 N N N 1.934 -5.649 24.095 -7.352 3.683 0.255 H24A C6Q 85 C6Q HO24 HO24 H 0 0 N N N 0.053 -6.564 23.056 -7.718 1.579 -0.814 HO24 C6Q 86 C6Q H16 H16 H 0 1 N N N 5.642 -5.875 17.912 -0.338 2.550 -0.271 H16 C6Q 87 C6Q HO16 HO16 H 0 0 N N N 4.919 -3.632 17.707 0.114 2.698 -3.134 HO16 C6Q 88 C6Q H15 H15 H 0 1 N N N 5.115 -7.358 16.276 0.799 0.459 -2.182 H15 C6Q 89 C6Q HO15 HO15 H 0 0 N N N 6.339 -5.877 14.415 0.274 0.331 0.671 HO15 C6Q 90 C6Q H14 H14 H 0 1 N N N 3.137 -6.532 15.144 2.379 2.300 -1.529 H14 C6Q 91 C6Q H14A H14A H 0 0 N N N 4.027 -5.085 14.538 2.082 1.902 0.180 H14A C6Q 92 C6Q H13 H13 H 0 1 N N N 3.839 -6.707 12.734 2.899 -0.406 -0.215 H13 C6Q 93 C6Q H13A H13A H 0 0 N N N 5.578 -6.637 13.320 3.196 -0.008 -1.924 H13A C6Q 94 C6Q H12 H12 H 0 1 N N N 5.452 -8.687 14.329 4.800 1.754 -1.235 H12 C6Q 95 C6Q H12A H12A H 0 0 N N N 3.596 -8.689 14.206 4.503 1.356 0.474 H12A C6Q 96 C6Q H11 H11 H 0 1 N N N 4.610 -10.364 12.778 5.320 -0.952 0.079 H11 C6Q 97 C6Q H11A H11A H 0 0 N N N 3.766 -8.965 11.846 5.617 -0.554 -1.630 H11A C6Q 98 C6Q H10 H10 H 0 1 N N N 5.774 -8.225 10.952 7.220 1.208 -0.942 H10 C6Q 99 C6Q H10A H10A H 0 0 N N N 6.770 -9.174 12.046 6.923 0.810 0.768 H10A C6Q 100 C6Q H9 H9 H 0 1 N N N 5.637 -11.283 11.149 7.740 -1.498 0.373 H9 C6Q 101 C6Q H9A H9A H 0 1 N N N 4.815 -10.194 9.920 8.037 -1.100 -1.337 H9A C6Q 102 C6Q H8 H8 H 0 1 N N N 7.818 -10.649 10.167 9.641 0.662 -0.648 H8 C6Q 103 C6Q H8A H8A H 0 1 N N N 6.764 -11.399 8.952 9.343 0.264 1.061 H8A C6Q 104 C6Q H7 H7 H 0 1 N N N 7.227 -8.402 9.408 10.457 -1.646 -1.043 H7 C6Q 105 C6Q H7A H7A H 0 1 N N N 5.978 -9.028 8.325 10.160 -2.044 0.666 H7A C6Q 106 C6Q H1 H1 H 0 1 N N N 8.898 -4.639 3.949 17.421 -3.682 1.547 H1 C6Q 107 C6Q H1A H1A H 0 1 N N N 9.796 -5.792 2.905 17.718 -3.284 -0.162 H1A C6Q 108 C6Q H1B H1B H 0 1 N N N 8.000 -5.821 2.938 18.663 -2.482 1.116 H1B C6Q 109 # # loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.value_order _chem_comp_bond.pdbx_aromatic_flag _chem_comp_bond.pdbx_stereo_config _chem_comp_bond.pdbx_ordinal C6Q N C25 SING N N 1 C6Q N C17 SING N N 2 C6Q C5 C6 SING N N 3 C6Q C5 C4 SING N N 4 C6Q C6 C7 SING N N 5 C6Q C2 C3 SING N N 6 C6Q C2 C1 SING N N 7 C6Q C3 C4 SING N N 8 C6Q O25 C25 DOUB N N 9 C6Q C25 C26 SING N N 10 C6Q C26 C27 SING N N 11 C6Q C27 C28 SING N N 12 C6Q C28 C29 SING N N 13 C6Q C29 C30 SING N N 14 C6Q C30 CI SING N N 15 C6Q CI CJ2 DOUB Y N 16 C6Q CI CJ1 SING Y N 17 C6Q CJ2 CK2 SING Y N 18 C6Q CK2 CL DOUB Y N 19 C6Q CL CK1 SING Y N 20 C6Q CK1 CJ1 DOUB Y N 21 C6Q C17 C18 SING N N 22 C6Q C17 C16 SING N N 23 C6Q C18 O18 SING N N 24 C6Q O18 C19 SING N N 25 C6Q C19 C20 SING N N 26 C6Q C19 O19 SING N N 27 C6Q C20 O20 SING N N 28 C6Q C20 C21 SING N N 29 C6Q C21 O21 SING N N 30 C6Q C21 C22 SING N N 31 C6Q C22 O22 SING N N 32 C6Q C22 C23 SING N N 33 C6Q C23 C24 SING N N 34 C6Q C23 O19 SING N N 35 C6Q C24 O24 SING N N 36 C6Q C16 O16 SING N N 37 C6Q C16 C15 SING N N 38 C6Q C15 O15 SING N N 39 C6Q C15 C14 SING N N 40 C6Q C14 C13 SING N N 41 C6Q C13 C12 SING N N 42 C6Q C12 C11 SING N N 43 C6Q C11 C10 SING N N 44 C6Q C10 C9 SING N N 45 C6Q C9 C8 SING N N 46 C6Q C8 C7 SING N N 47 C6Q N HN SING N N 48 C6Q C5 H5 SING N N 49 C6Q C5 H5A SING N N 50 C6Q C6 H6 SING N N 51 C6Q C6 H6A SING N N 52 C6Q C2 H2 SING N N 53 C6Q C2 H2A SING N N 54 C6Q C3 H3 SING N N 55 C6Q C3 H3A SING N N 56 C6Q C4 H4 SING N N 57 C6Q C4 H4A SING N N 58 C6Q C26 H26 SING N N 59 C6Q C26 H26A SING N N 60 C6Q C27 H27 SING N N 61 C6Q C27 H27A SING N N 62 C6Q C28 H28 SING N N 63 C6Q C28 H28A SING N N 64 C6Q C29 H29 SING N N 65 C6Q C29 H29A SING N N 66 C6Q C30 H30 SING N N 67 C6Q C30 H30A SING N N 68 C6Q CJ2 HJ2 SING N N 69 C6Q CK2 HK2 SING N N 70 C6Q CL HL SING N N 71 C6Q CK1 HK1 SING N N 72 C6Q CJ1 HJ1 SING N N 73 C6Q C17 H17 SING N N 74 C6Q C18 H18 SING N N 75 C6Q C18 H18A SING N N 76 C6Q C19 H19 SING N N 77 C6Q C20 H20 SING N N 78 C6Q O20 HO20 SING N N 79 C6Q C21 H21 SING N N 80 C6Q O21 HO21 SING N N 81 C6Q C22 H22 SING N N 82 C6Q O22 HO22 SING N N 83 C6Q C23 H23 SING N N 84 C6Q C24 H24 SING N N 85 C6Q C24 H24A SING N N 86 C6Q O24 HO24 SING N N 87 C6Q C16 H16 SING N N 88 C6Q O16 HO16 SING N N 89 C6Q C15 H15 SING N N 90 C6Q O15 HO15 SING N N 91 C6Q C14 H14 SING N N 92 C6Q C14 H14A SING N N 93 C6Q C13 H13 SING N N 94 C6Q C13 H13A SING N N 95 C6Q C12 H12 SING N N 96 C6Q C12 H12A SING N N 97 C6Q C11 H11 SING N N 98 C6Q C11 H11A SING N N 99 C6Q C10 H10 SING N N 100 C6Q C10 H10A SING N N 101 C6Q C9 H9 SING N N 102 C6Q C9 H9A SING N N 103 C6Q C8 H8 SING N N 104 C6Q C8 H8A SING N N 105 C6Q C7 H7 SING N N 106 C6Q C7 H7A SING N N 107 C6Q C1 H1 SING N N 108 C6Q C1 H1A SING N N 109 C6Q C1 H1B SING N N 110 # # loop_ _pdbx_chem_comp_descriptor.comp_id _pdbx_chem_comp_descriptor.type _pdbx_chem_comp_descriptor.program _pdbx_chem_comp_descriptor.program_version _pdbx_chem_comp_descriptor.descriptor C6Q SMILES ACDLabs 10.04 "O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCc2ccccc2" C6Q SMILES_CANONICAL CACTVS 3.341 "CCCCCCCCCCCCCC[C@@H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCc2ccccc2" C6Q SMILES CACTVS 3.341 "CCCCCCCCCCCCCC[CH](O)[CH](O)[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O)NC(=O)CCCCCc2ccccc2" C6Q SMILES_CANONICAL "OpenEye OEToolkits" 1.5.0 "CCCCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=O)CCCCCc2ccccc2)O)O" C6Q SMILES "OpenEye OEToolkits" 1.5.0 "CCCCCCCCCCCCCCC(C(C(COC1C(C(C(C(O1)CO)O)O)O)NC(=O)CCCCCc2ccccc2)O)O" C6Q InChI InChI 1.03 "InChI=1S/C36H63NO9/c1-2-3-4-5-6-7-8-9-10-11-12-18-23-29(39)32(41)28(26-45-36-35(44)34(43)33(42)30(25-38)46-36)37-31(40)24-19-14-17-22-27-20-15-13-16-21-27/h13,15-16,20-21,28-30,32-36,38-39,41-44H,2-12,14,17-19,22-26H2,1H3,(H,37,40)/t28-,29+,30+,32-,33-,34-,35+,36-/m0/s1" C6Q InChIKey InChI 1.03 OIUCZFOCUKYLRK-QNAIHFNASA-N # # loop_ _pdbx_chem_comp_identifier.comp_id _pdbx_chem_comp_identifier.type _pdbx_chem_comp_identifier.program _pdbx_chem_comp_identifier.program_version _pdbx_chem_comp_identifier.identifier C6Q "SYSTEMATIC NAME" ACDLabs 10.04 "N-{(1S,2S,3R)-1-[(alpha-D-galactopyranosyloxy)methyl]-2,3-dihydroxyheptadecyl}-6-phenylhexanamide" C6Q "SYSTEMATIC NAME" "OpenEye OEToolkits" 1.5.0 "N-[(2S,3S,4R)-3,4-dihydroxy-1-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-octadecan-2-yl]-6-phenyl-hexanamide" # # loop_ _pdbx_chem_comp_audit.comp_id _pdbx_chem_comp_audit.action_type _pdbx_chem_comp_audit.date _pdbx_chem_comp_audit.processing_site C6Q "Create component" 2009-04-06 RCSB C6Q "Modify aromatic_flag" 2011-06-04 RCSB C6Q "Modify descriptor" 2011-06-04 RCSB C6Q "Modify synonyms" 2020-06-05 PDBE # _pdbx_chem_comp_synonyms.ordinal 1 _pdbx_chem_comp_synonyms.comp_id C6Q _pdbx_chem_comp_synonyms.name "(2S,3S,4R)-N-PHENYLHEXANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL" _pdbx_chem_comp_synonyms.provenance ? _pdbx_chem_comp_synonyms.type ? ##